(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone

C18H17NO — CID 3724077

IUPAC(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C=CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H17NO/c1-13-8-11-17-16(12-13)10-9-14(2)19(17)18(20)15-6-4-3-5-7-15/h3-12,14H,1-2H3
InChIKeyQXZZEBHIHCLHLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.06
Rot. Bonds1

About (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone

(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone (PubChem CID 3724077) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone
PubChem CID3724077
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C=CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H17NO/c1-13-8-11-17-16(12-13)10-9-14(2)19(17)18(20)15-6-4-3-5-7-15/h3-12,14H,1-2H3
InChIKeyQXZZEBHIHCLHLL-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone?
The IUPAC name of (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone (CID 3724077) is (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone?
The canonical SMILES for (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone is Cc1ccc2c(c1)C=CC(C)N2C(=O)c1ccccc1.
What is the InChIKey of (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone?
The InChIKey is QXZZEBHIHCLHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-8-11-17-16(12-13)10-9-14(2)19(17)18(20)15-6-4-3-5-7-15/h3-12,14H,1-2H3.
What are the key properties of (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone?
(2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone has a molecular weight of 263.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-2H-quinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 3724077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).